
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms   82 (  674),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  632),  selected   79 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65       3_A - 67_A        4.48    23.06
  LCS_AVERAGE:     72.18

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47      11_A - 57_A        1.99    23.93
  LCS_AVERAGE:     44.13

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      32_A - 57_A        0.82    24.41
  LCS_AVERAGE:     19.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     L     3_A     L     3_A     14   43   65      4   19   25   33   37   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L     4_A     L     4_A     14   43   65      7   14   25   31   37   42   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L     5_A     L     5_A     14   43   65      7   18   25   33   37   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     C     6_A     C     6_A     14   43   65      5   19   25   33   39   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     P     7_A     P     7_A     14   43   65      7   19   25   33   39   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     N     8_A     N     8_A     14   43   65      8   19   25   33   37   44   50   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     C     9_A     C     9_A     14   43   65      4   14   25   33   37   42   49   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     Q    10_A     Q    10_A     14   43   65      7   18   25   33   37   42   49   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    11_A     V    11_A     14   47   65      6   14   23   33   37   44   50   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    12_A     G    12_A     14   47   65      7   19   25   33   37   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     M    13_A     M    13_A     14   47   65      9   19   29   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    14_A     R    14_A     14   47   65      9   18   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    15_A     E    15_A     14   47   65      9   19   25   34   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    16_A     V    16_A     14   47   65      4   19   25   34   40   43   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    17_A     E    17_A     11   47   65      7   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    18_A     R    18_A     11   47   65      7    9   17   33   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    19_A     R    19_A     11   47   65      7    9   12   23   39   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    20_A     G    20_A     11   47   65      7    9   26   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    21_A     V    21_A     21   47   65      7    9   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    22_A     L    22_A     22   47   65     14   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     I    23_A     I    23_A     22   47   65      9   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     D    24_A     D    24_A     22   47   65     11   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    25_A     V    25_A     22   47   65      9   24   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     C    26_A     C    26_A     22   47   65      9   19   30   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     P    27_A     P    27_A     22   47   65      9   19   30   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     Q    28_A     Q    28_A     22   47   65      9   19   25   33   39   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     C    29_A     C    29_A     22   47   65      9   19   25   33   37   44   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    30_A     G    30_A     22   47   65      5   19   25   33   37   44   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    31_A     G    31_A     25   47   65      9   18   25   33   39   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    32_A     V    32_A     26   47   65      9   19   30   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     W    33_A     W    33_A     26   47   65      9   21   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    34_A     L    34_A     26   47   65     11   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     D    35_A     D    35_A     26   47   65      3   19   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     K    36_A     K    36_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    37_A     G    37_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    38_A     E    38_A     26   47   65     17   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    39_A     L    39_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    40_A     E    40_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     K    41_A     K    41_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    42_A     L    42_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    43_A     L    43_A     26   47   65     17   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     A    44_A     A    44_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    45_A     E    45_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     A    46_A     A    46_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    47_A     E    47_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    48_A     E    48_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     V    49_A     V    49_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    50_A     E    50_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    51_A     R    51_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    52_A     R    52_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     Y    53_A     Y    53_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    54_A     E    54_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    55_A     E    55_A     26   47   65     18   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    56_A     E    56_A     26   47   65      8   27   32   37   40   45   52   55   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     L    57_A     L    57_A     26   47   65      4   27   32   37   40   45   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     E    58_A     E    58_A      3   46   65      0    3    3    3   18   26   32   38   43   47   56   60   60   61   61   61   61   62   63   63 
LCS_GDT     G    59_A     G    59_A      3   30   65      3    3    3    3    4   10   21   26   29   37   56   60   60   61   61   61   61   61   63   63 
LCS_GDT     F    60_A     F    60_A      3    4   65      3    3    3    3    4    6   29   42   57   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     Y    61_A     Y    61_A      3    4   65      3    3    4   26   36   44   52   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     R    62_A     R    62_A      3    4   65      0    3    3    3    4   37   48   56   58   58   59   60   60   61   61   61   61   62   63   63 
LCS_GDT     K    63_A     K    63_A      3    6   65      3    3    3    4    6   36   44   55   58   58   59   59   60   61   61   61   61   62   63   63 
LCS_GDT     E    64_A     E    64_A      3    6   65      3    3    3    4    6    7    8   12   14   15   16   46   48   59   59   60   61   62   63   63 
LCS_GDT     G    65_A     G    65_A      5    8   65      4    4    5    6    8   10   11   13   14   15   31   54   60   60   60   60   61   62   63   63 
LCS_GDT     K    66_A     K    66_A      5    8   65      4    4    5    6    8   10   11   13   14   15   16   17   17   18   19   20   36   59   62   63 
LCS_GDT     P    67_A     P    67_A      5    8   65      4    4    5    6    8   10   11   13   14   15   16   17   17   18   19   19   25   44   60   63 
LCS_GDT     Y    68_A     Y    68_A      5    8   20      4    4    5    6    8   10   11   13   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     K    69_A     K    69_A      5    8   20      3    4    5    6    8   10   11   13   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     R    70_A     R    70_A      5    8   20      3    4    5    6    8   10   11   13   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     K    71_A     K    71_A      4    8   20      3    4    4    6    8   10   11   13   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     K    72_A     K    72_A      4    8   20      3    4    4    5    7    9   11   13   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     G    73_A     G    73_A      4    5   20      3    3    4    6    7   10   11   13   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     F    74_A     F    74_A      3    5   20      3    3    4    5    7   10   11   13   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     M    75_A     M    75_A      3    4   20      0    3    3    6    7   10   11   12   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     K    76_A     K    76_A      3    4   20      3    3    3    4    4    4    6    6    8    9   14   17   17   18   19   19   20   20   21   21 
LCS_GDT     L    77_A     L    77_A      3    4   20      3    3    3    6    7   10   11   13   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     F    78_A     F    78_A      3    4   20      3    3    3    4    4    9   11   13   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     D    79_A     D    79_A      3    4   20      3    3    3    4    4    5    6   11   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     L    80_A     L    80_A      3    4   20      3    3    3    6    8    9   11   13   14   15   16   17   17   18   19   19   20   20   21   21 
LCS_GDT     F    81_A     F    81_A      3    3   20      0    3    3    3    4    8    9   10   10   11   13   14   16   17   18   18   19   19   20   21 
LCS_AVERAGE  LCS_A:  45.43  (  19.98   44.13   72.18 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     18     27     32     37     40     45     52     56     58     58     59     60     60     61     61     61     61     62     63     63 
GDT PERCENT_AT  22.78  34.18  40.51  46.84  50.63  56.96  65.82  70.89  73.42  73.42  74.68  75.95  75.95  77.22  77.22  77.22  77.22  78.48  79.75  79.75
GDT RMS_LOCAL    0.34   0.59   0.82   1.15   1.28   1.77   2.15   2.42   2.51   2.51   2.61   2.92   2.92   2.99   2.99   2.99   2.99   3.29   3.48   3.48
GDT RMS_ALL_AT  24.77  24.54  24.39  24.25  24.27  23.95  23.72  23.44  23.49  23.49  23.51  23.53  23.53  23.51  23.51  23.51  23.51  23.35  23.37  23.37

# Checking swapping
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  Y    68_A      Y    68_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     2.911     0    0.216   0.676     6.654   51.905   41.726
LGA    L     4_A      L     4_A     3.408     0    0.083   1.019     5.305   55.476   48.095
LGA    L     5_A      L     5_A     2.694     4    0.054   0.054     3.028   61.190   30.595
LGA    C     6_A      C     6_A     1.392     0    0.018   0.060     2.512   71.071   71.667
LGA    P     7_A      P     7_A     1.912     0    0.058   0.096     3.352   63.214   73.605
LGA    N     8_A      N     8_A     3.828     0    0.063   1.139     5.714   40.952   37.857
LGA    C     9_A      C     9_A     4.473     0    0.024   0.798     5.054   34.524   39.048
LGA    Q    10_A      Q    10_A     4.270     0    0.215   1.170     8.234   38.690   28.095
LGA    V    11_A      V    11_A     3.873     0    0.082   1.173     4.778   46.905   43.673
LGA    G    12_A      G    12_A     2.208     0    0.040   0.040     2.759   71.190   71.190
LGA    M    13_A      M    13_A     1.381     0    0.044   1.285     3.620   75.119   72.500
LGA    R    14_A      R    14_A     2.521     0    0.025   1.046     8.126   60.952   44.156
LGA    E    15_A      E    15_A     2.923     0    0.050   0.954     3.597   50.119   54.074
LGA    V    16_A      V    16_A     3.371     0    0.189   1.102     5.791   53.571   48.027
LGA    E    17_A      E    17_A     1.451     0    0.122   0.327     2.607   69.048   80.053
LGA    R    18_A      R    18_A     2.682     3    0.024   0.922     3.183   61.071   48.225
LGA    R    19_A      R    19_A     3.399     5    0.025   0.630     5.254   50.000   24.502
LGA    G    20_A      G    20_A     2.704     0    0.045   0.045     2.704   60.952   60.952
LGA    V    21_A      V    21_A     1.560     0    0.055   1.026     2.781   79.405   75.578
LGA    L    22_A      L    22_A     1.489     0    0.055   1.439     6.170   77.143   63.214
LGA    I    23_A      I    23_A     2.572     0    0.160   1.152     3.847   59.048   54.583
LGA    D    24_A      D    24_A     1.942     0    0.107   1.054     3.446   68.810   67.976
LGA    V    25_A      V    25_A     1.951     0    0.087   1.020     4.526   72.857   62.517
LGA    C    26_A      C    26_A     1.353     0    0.019   0.087     1.866   75.000   74.286
LGA    P    27_A      P    27_A     1.569     0    0.038   0.063     2.026   72.976   79.184
LGA    Q    28_A      Q    28_A     2.056     0    0.116   0.950     3.603   66.786   59.947
LGA    C    29_A      C    29_A     3.122     0    0.096   0.120     3.415   51.786   53.651
LGA    G    30_A      G    30_A     3.101     0    0.017   0.017     3.200   53.571   53.571
LGA    G    31_A      G    31_A     2.276     0    0.075   0.075     2.520   62.857   62.857
LGA    V    32_A      V    32_A     2.209     0    0.040   1.076     4.794   68.810   59.116
LGA    W    33_A      W    33_A     1.575     0    0.043   1.129     5.396   70.833   60.680
LGA    L    34_A      L    34_A     1.837     0    0.070   0.105     2.218   75.000   69.881
LGA    D    35_A      D    35_A     1.474     0    0.147   0.586     2.946   75.000   73.036
LGA    K    36_A      K    36_A     2.517     0    0.625   0.836     4.807   52.619   53.598
LGA    G    37_A      G    37_A     1.883     0    0.236   0.236     1.959   75.000   75.000
LGA    E    38_A      E    38_A     1.588     0    0.038   0.960     4.265   72.857   66.243
LGA    L    39_A      L    39_A     1.615     0    0.015   1.168     3.439   77.143   71.250
LGA    E    40_A      E    40_A     1.354     0    0.019   0.878     2.741   79.286   73.175
LGA    K    41_A      K    41_A     1.360     0    0.028   1.100     4.975   81.429   69.735
LGA    L    42_A      L    42_A     1.592     0    0.033   0.972     3.152   79.286   73.214
LGA    L    43_A      L    43_A     1.231     0    0.038   0.227     2.101   85.952   82.738
LGA    A    44_A      A    44_A     0.605     0    0.020   0.022     0.850   92.857   92.381
LGA    E    45_A      E    45_A     0.531     0    0.020   1.112     4.061   90.476   73.492
LGA    A    46_A      A    46_A     1.241     0    0.053   0.052     1.508   83.690   81.524
LGA    E    47_A      E    47_A     1.262     0    0.020   0.704     2.088   81.429   82.593
LGA    E    48_A      E    48_A     0.964     0    0.025   0.899     5.304   85.952   67.884
LGA    V    49_A      V    49_A     1.004     0    0.016   0.887     2.781   83.690   79.320
LGA    E    50_A      E    50_A     1.696     0    0.046   0.611     2.638   72.976   68.519
LGA    R    51_A      R    51_A     1.816     0    0.039   1.287     7.980   68.810   45.455
LGA    R    52_A      R    52_A     2.083     0    0.027   0.870     4.276   64.881   64.502
LGA    Y    53_A      Y    53_A     2.697     0    0.025   1.381     8.083   57.262   40.516
LGA    E    54_A      E    54_A     2.932     0    0.042   1.045     3.671   53.571   55.714
LGA    E    55_A      E    55_A     3.244     0    0.036   0.722     4.102   46.905   44.974
LGA    E    56_A      E    56_A     4.025     0    0.609   0.851     7.072   33.690   27.090
LGA    L    57_A      L    57_A     3.379     0    0.634   0.700     4.576   43.690   44.524
LGA    E    58_A      E    58_A     8.710     0    0.639   1.077    17.425    5.476    2.434
LGA    G    59_A      G    59_A     9.740     0    0.586   0.586     9.740    4.762    4.762
LGA    F    60_A      F    60_A     6.393     0    0.643   0.859    12.133   24.643    9.567
LGA    Y    61_A      Y    61_A     2.804     0    0.642   0.809    12.196   50.119   25.794
LGA    R    62_A      R    62_A     4.109     0    0.624   1.490    13.553   52.619   22.165
LGA    K    63_A      K    63_A     4.707     2    0.696   1.064     6.213   26.786   25.979
LGA    E    64_A      E    64_A     9.917     0    0.656   1.070    16.441    1.429    0.635
LGA    G    65_A      G    65_A     9.785     0    0.566   0.566    11.551    0.476    0.476
LGA    K    66_A      K    66_A    15.833     3    0.062   0.668    18.600    0.000    0.000
LGA    P    67_A      P    67_A    18.185     0    0.100   0.100    22.053    0.000    0.000
LGA    Y    68_A      Y    68_A    24.575     0    0.127   1.338    34.831    0.000    0.000
LGA    K    69_A      K    69_A    30.033     2    0.036   0.591    33.246    0.000    0.000
LGA    R    70_A      R    70_A    36.516     0    0.110   1.627    42.590    0.000    0.000
LGA    K    71_A      K    71_A    41.210     0    0.608   1.022    44.848    0.000    0.000
LGA    K    72_A      K    72_A    44.030     0    0.364   0.883    44.865    0.000    0.000
LGA    G    73_A      G    73_A    46.271     0    0.653   0.653    48.470    0.000    0.000
LGA    F    74_A      F    74_A    51.276     0    0.591   1.273    53.955    0.000    0.000
LGA    M    75_A      M    75_A    54.807     0    0.640   1.074    60.740    0.000    0.000
LGA    K    76_A      K    76_A    57.204     0    0.619   1.267    60.152    0.000    0.000
LGA    L    77_A      L    77_A    61.617     0    0.594   0.597    65.663    0.000    0.000
LGA    F    78_A      F    78_A    67.752     0    0.740   1.283    72.488    0.000    0.000
LGA    D    79_A      D    79_A    71.074     0    0.600   0.538    72.400    0.000    0.000
LGA    L    80_A      L    80_A    72.323     0    0.708   0.855    76.969    0.000    0.000
LGA    F    81_A      F    81_A    76.652     0    0.644   1.234    77.812    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     632    632  100.00                79
SUMMARY(RMSD_GDC):    20.599         20.783                 22.092           47.792   43.207

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     56    2.42    57.278    56.191     2.221

LGA_LOCAL      RMSD:   2.422  Number of atoms:   56  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.444  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:  20.599  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.499177 * X  +   0.025025 * Y  +   0.866139 * Z  + -20.928509
  Y_new =  -0.502467 * X  +  -0.822721 * Y  +  -0.265813 * Z  + -24.274931
  Z_new =   0.705939 * X  +  -0.567894 * Y  +   0.423258 * Z  +  23.860004 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.352910 -0.783748 -0.930303   [DEG: -134.8118  -44.9054  -53.3024 ]
ZXZ:  1.273027  1.133758  2.248246   [DEG:   72.9391   64.9596  128.8150 ]
 
# END of job
